5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C46H29N3 — CID 139361762

IUPAC5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)nc3c2)cc1
InChIInChI=1S/C46H29N3/c1-3-13-30(14-4-1)34-23-24-39-41(27-34)47-46(48-45(39)31-15-5-2-6-16-31)36-25-35-19-9-10-20-37(35)43(29-36)49-42-22-12-11-21-38(42)40-26-32-17-7-8-18-33(32)28-44(40)49/h1-29H
InChIKeyWVOYGBDMWHNLQX-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.03
Rot. Bonds4

About 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 139361762) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID139361762
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)nc3c2)cc1
InChIInChI=1S/C46H29N3/c1-3-13-30(14-4-1)34-23-24-39-41(27-34)47-46(48-45(39)31-15-5-2-6-16-31)36-25-35-19-9-10-20-37(35)43(29-36)49-42-22-12-11-21-38(42)40-26-32-17-7-8-18-33(32)28-44(40)49/h1-29H
InChIKeyWVOYGBDMWHNLQX-UHFFFAOYSA-N
XLogP12.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 139362121
5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 139362120
5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole
CID 160718737
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603571
2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146540820
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032255
5-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[4-(4-naphthalen-2-yl-6,7-diphenylquinazolin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[4-(4,6,7-triphenylquinazolin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 158714392
5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole
CID 167032034
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915426
28-phenyl-23-[22-phenyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-6-yl]-14-[4-(4-phenylquinazolin-2-yl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaene
CID 138533201
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 139361762) is 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)nc3c2)cc1.
What is the InChIKey of 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is WVOYGBDMWHNLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-3-13-30(14-4-1)34-23-24-39-41(27-34)47-46(48-45(39)31-15-5-2-6-16-31)36-25-35-19-9-10-20-37(35)43(29-36)49-42-22-12-11-21-38(42)40-26-32-17-7-8-18-33(32)28-44(40)49/h1-29H.
What are the key properties of 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 623.76 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 139361762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).